4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate

Formula:C24H18N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C24H18N5O3S
Smiles	[O-]C(c1ccc(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C24H19N5O3S/c30-21(26-25-15-17-11-13-19(14-12-17)23(31)32)16-33-24-28-27-22(18-7-3-1-4-8-18)29(24)20-9-5-2-6-10-20/h1-15H,16H2,(H,26,30)(H,31,32)/p-1
InChIK	NEIXPMLTFKDTRB-UHFFFAOYSA-M
TotalMolweight	456.505
Molweight	456.505
MonoisotopicMass	456.113035
CLogP	1.9409
CLogS	-8.429
H Acceptors	8
H Donors	1
TotalSurfaceArea	349.76
Relative PSA	0.31344
PolarSurfaceArea	137.6
Druglikeness	5.455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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